CID 106526

68083-99-8

Structural Information

Molecular Formula
C15H20O5
SMILES
C1COC(O1)(CCC(=O)OCCO)CC2=CC=CC=C2
InChI
InChI=1S/C15H20O5/c16-8-9-18-14(17)6-7-15(19-10-11-20-15)12-13-4-2-1-3-5-13/h1-5,16H,6-12H2
InChIKey
ISFIHGMRNGUEGX-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13107 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.138346 164.6
[M+Na]+ 303.120288 169.0
[M-H]- 279.123794 170.3
[M+NH4]+ 298.164893 180.2
[M+K]+ 319.094228 169.4
[M+H-H2O]+ 263.128330 158.4
[M+HCOO]- 325.129271 183.4
[M+CH3COO]- 339.144921 192.5
[M+Na-2H]- 301.105736 169.1
[M]+ 280.13052142 167.4
[M]- 280.13161858 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.